2O1Q
CRYSTAL STRUCTURE OF A PUTATIVE ACETYLACETONE DIOXYGENASE (MPE_A3659) FROM METHYLIBIUM PETROLEIPHILUM PM1 AT 1.50 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-11 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 62.020, 62.020, 133.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.437 - 1.500 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21000 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.706 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.437 | 29.400 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.094 | 0.057 | 0.732 |
Number of reflections | 42659 | ||
<I/σ(I)> | 9.49 | 33.6 | 1.9 |
Completeness [%] | 99.7 | 99.5 | 97.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 4.5 | 277 | 20.0% PEG-1000, 0.2M Zn(OAc)2, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 4.5 | 277 | 20.0% PEG-1000, 0.2M Zn(OAc)2, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |